2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine

C10H8BrFO2 — CID 67970873

IUPAC2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESFC1=CCCC(C2=COC=CO2)=C1Br
InChIInChI=1S/C10H8BrFO2/c11-10-7(2-1-3-8(10)12)9-6-13-4-5-14-9/h3-6H,1-2H2
InChIKeyYTUFZMOOZXSRNT-UHFFFAOYSA-N
MW259.07 g/mol
LogP3.64
Rot. Bonds1

About 2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine

2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine (PubChem CID 67970873) has the molecular formula C10H8BrFO2 and a molecular weight of 259.07 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
PubChem CID67970873
Molecular FormulaC10H8BrFO2
Molecular Weight259.07 g/mol
Exact Mass257.97
IUPAC Name2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESFC1=CCCC(C2=COC=CO2)=C1Br
InChIInChI=1S/C10H8BrFO2/c11-10-7(2-1-3-8(10)12)9-6-13-4-5-14-9/h3-6H,1-2H2
InChIKeyYTUFZMOOZXSRNT-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.07
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The IUPAC name of 2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine (CID 67970873) is 2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine.
What is the SMILES notation for 2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The canonical SMILES for 2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine is FC1=CCCC(C2=COC=CO2)=C1Br.
What is the InChIKey of 2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The InChIKey is YTUFZMOOZXSRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFO2/c11-10-7(2-1-3-8(10)12)9-6-13-4-5-14-9/h3-6H,1-2H2.
What are the key properties of 2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine?
2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine has a molecular weight of 259.07 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine is sourced from PubChem (CID 67970873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).